#------------------------------------------------------------------------------ #$Date: 2016-04-03 01:30:30 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181058 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/38/2213806.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2213806_Fobs loop_ _publ_author_name 'Zheng, Xiao-Feng' 'Yin, Ling' 'Liu, Xi-Cheng' 'Tian, Lai-Jin' _publ_section_title ; \m-Sulfido-bis[tricyclohexyltin(IV)] ; _journal_coeditor_code HB2416 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1744 _journal_volume 63 _journal_year 2007 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.000 _cell_angle_beta 96.558 _cell_angle_gamma 90.000 _cell_length_a 10.3799 _cell_length_b 14.4181 _cell_length_c 24.8619 _exptl_crystal_F_000 1592.00 _reflns_d_resolution_high 0.7964 _cod_data_source_file hb2416Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' A in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 359.73 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 2 0 0 45710.98 48952.98 875.40 o 4 0 0 550.24 1067.41 41.84 o 6 0 0 2463.07 2325.29 117.03 o 8 0 0 10958.94 10404.61 374.95 o 10 0 0 2544.47 2252.33 245.30 o 12 0 0 225.00 302.74 80.30 o 1 1 0 27970.84 30573.16 387.54 o 2 1 0 8698.80 9849.40 136.49 o 3 1 0 1701.99 1185.21 29.32 o 4 1 0 2955.21 2814.47 55.50 o 5 1 0 6984.78 6965.59 115.16 o 6 1 0 3345.19 3237.58 68.94 o 7 1 0 1376.05 1458.83 97.10 o 8 1 0 5501.25 5144.48 149.51 o 9 1 0 3409.14 3426.58 125.38 o 10 1 0 2794.67 2744.76 122.08 o 11 1 0 2.57 34.03 37.74 o 12 1 0 893.61 915.31 89.78 o 0 2 0 267.49 183.26 11.66 o 1 2 0 13979.75 15499.64 203.02 o 2 2 0 24756.91 26350.65 341.70 o 3 2 0 16109.81 14337.80 198.81 o 4 2 0 46935.12 49223.97 635.53 o 5 2 0 252.14 274.40 22.16 o 6 2 0 8269.75 8759.42 144.55 o 7 2 0 365.76 377.84 45.46 o 8 2 0 40.65 30.92 27.78 o 9 2 0 1248.68 1312.61 85.83 o 10 2 0 153.32 121.94 53.52 o 11 2 0 769.72 915.39 83.47 o 12 2 0 234.35 173.90 60.59 o 1 3 0 36521.25 41328.46 525.59 o 2 3 0 2346.63 2536.96 48.07 o 3 3 0 9328.22 10831.97 157.62 o 4 3 0 8.88 39.60 11.53 o 5 3 0 24580.87 22943.22 319.10 o 6 3 0 12711.22 13033.61 216.51 o 7 3 0 64.05 104.73 30.65 o 8 3 0 742.39 738.13 62.40 o 9 3 0 230.99 206.28 40.17 o 10 3 0 161.37 153.62 41.74 o 11 3 0 38.61 -13.79 34.99 o 12 3 0 5.33 10.80 40.01 o 0 4 0 14567.80 16209.82 306.73 o 1 4 0 166.30 157.41 12.26 o 2 4 0 189.72 272.09 16.82 o 3 4 0 11179.87 10401.04 155.36 o 4 4 0 118.21 152.44 18.12 o 5 4 0 1974.56 2223.77 58.05 o 6 4 0 3100.05 3010.50 72.64 o 7 4 0 11791.50 12484.95 300.50 o 8 4 0 856.83 887.10 68.76 o 9 4 0 883.74 772.95 69.81 o 10 4 0 336.58 272.33 50.60 o 11 4 0 37.59 23.19 35.69 o 12 4 0 52.98 40.21 41.34 o 1 5 0 32789.21 33572.77 437.41 o 2 5 0 50636.04 56821.25 727.19 o 3 5 0 9818.40 9778.34 150.11 o 4 5 0 3644.29 3674.40 75.83 o 5 5 0 2258.18 2618.48 64.72 o 6 5 0 2064.22 1769.13 55.99 o 7 5 0 3005.65 2993.56 103.31 o 8 5 0 36.05 52.08 27.74 o 9 5 0 597.66 522.86 58.12 o 10 5 0 2241.39 2372.27 185.52 o 11 5 0 22.51 60.78 38.81 o 12 5 0 794.77 842.50 84.06 o 0 6 0 10260.74 9574.18 283.71 o 1 6 0 12046.26 12194.67 177.61 o 2 6 0 7529.45 8723.64 136.35 o 3 6 0 18896.85 18174.87 258.05 o 4 6 0 938.10 992.12 39.20 o 5 6 0 55.81 63.25 17.37 o 6 6 0 823.76 945.43 45.27 o 7 6 0 865.14 909.70 64.33 o 8 6 0 819.96 681.63 69.49 o 9 6 0 1667.08 1616.12 95.34 o 10 6 0 91.59 81.14 38.26 o 11 6 0 2325.97 2433.16 129.67 o 12 6 0 4.64 64.47 50.31 o 1 7 0 26708.70 27218.96 484.81 o 2 7 0 12226.77 12879.49 191.96 o 3 7 0 2634.47 2054.89 57.52 o 4 7 0 13.51 27.48 22.97 o 5 7 0 3294.54 3119.89 76.80 o 6 7 0 9592.39 8818.69 157.71 o 7 7 0 515.97 481.86 49.66 o 8 7 0 1174.09 1066.18 75.03 o 9 7 0 1382.94 1761.61 110.83 o 10 7 0 112.48 143.39 49.82 o 11 7 0 6.95 32.60 43.92 o 0 8 0 4863.71 4020.59 120.52 o 1 8 0 1178.56 1205.43 40.02 o 2 8 0 325.84 439.49 42.30 o 3 8 0 24.01 3.58 13.16 o 4 8 0 2702.27 2913.94 72.56 o 5 8 0 3309.14 3281.55 80.68 o 6 8 0 1.32 26.54 17.83 o 7 8 0 5254.10 5025.82 144.50 o 8 8 0 384.18 505.36 87.84 o 9 8 0 695.21 703.61 95.34 o 10 8 0 111.67 105.41 59.03 o 11 8 0 28.09 0.35 83.97 o 1 9 0 644.66 803.25 39.71 o 2 9 0 904.22 876.86 39.56 o 3 9 0 14961.89 15170.24 230.94 o 4 9 0 0.97 47.10 17.67 o 5 9 0 12758.37 12568.97 229.35 o 6 9 0 406.49 537.27 44.49 o 7 9 0 554.62 590.42 65.02 o 8 9 0 572.13 627.27 72.67 o 9 9 0 85.91 81.59 40.96 o 10 9 0 36.27 89.98 58.43 o 11 9 0 35.16 71.05 88.46 o 0 10 0 804.02 878.16 68.07 o 1 10 0 1798.65 1825.88 55.34 o 2 10 0 797.06 800.70 45.83 o 3 10 0 676.07 719.85 45.90 o 4 10 0 6851.32 6455.89 158.51 o 5 10 0 1453.92 1295.75 64.52 o 6 10 0 844.31 878.91 68.72 o 7 10 0 556.63 563.85 69.73 o 8 10 0 380.83 463.45 81.98 o 9 10 0 627.41 667.44 118.34 o 10 10 0 67.70 109.49 83.97 o 1 11 0 13507.62 12521.47 224.16 o 2 11 0 44.52 63.21 22.58 o 3 11 0 564.68 572.98 43.66 o 4 11 0 322.94 279.37 48.53 o 5 11 0 169.95 167.68 35.93 o 6 11 0 183.94 218.13 35.46 o 7 11 0 895.57 802.16 195.27 o 8 11 0 215.92 133.18 65.48 o 9 11 0 1473.63 1663.96 161.31 o 10 11 0 46.44 186.93 92.09 o 0 12 0 6866.58 7289.00 251.78 o 1 12 0 205.99 270.55 38.29 o 2 12 0 1854.38 1544.94 84.96 o 3 12 0 438.28 434.44 39.92 o 4 12 0 137.23 95.59 27.39 o 5 12 0 641.43 686.87 62.05 o 6 12 0 0.12 -1.91 38.72 o 7 12 0 54.04 161.84 55.57 o 8 12 0 744.37 779.57 103.89 o 9 12 0 178.03 169.83 68.86 o 1 13 0 311.22 316.85 43.02 o 2 13 0 1880.00 1692.27 85.12 o 3 13 0 1443.79 1452.20 81.32 o 4 13 0 422.08 548.88 70.36 o 5 13 0 2545.14 2239.36 130.40 o 6 13 0 0.50 40.54 36.88 o 7 13 0 2.08 -22.11 72.37 o 8 13 0 1.13 108.04 85.13 o 9 13 0 93.40 117.18 87.01 o 0 14 0 0.70 -48.80 32.53 o 1 14 0 35.85 -1.40 34.37 o 2 14 0 842.37 772.60 79.67 o 3 14 0 349.82 372.29 58.31 o 4 14 0 2149.03 2049.54 128.10 o 5 14 0 271.27 190.63 50.37 o 6 14 0 705.67 1007.34 97.36 o 7 14 0 525.98 555.72 139.08 o 8 14 0 0.73 -1.31 87.59 o 1 15 0 203.31 231.03 53.60 o 2 15 0 890.68 759.40 83.03 o 3 15 0 14.14 30.23 41.40 o 4 15 0 10.90 77.44 45.15 o 5 15 0 3.20 43.20 43.80 o 6 15 0 820.84 972.24 99.36 o 7 15 0 46.64 54.24 88.32 o 0 16 0 514.37 501.78 138.21 o 1 16 0 369.72 480.90 122.18 o 2 16 0 454.15 512.48 74.17 o 3 16 0 495.91 662.62 82.02 o 4 16 0 335.33 382.35 69.91 o 5 16 0 43.58 21.24 48.77 o 6 16 0 117.96 115.88 54.78 o 1 17 0 182.64 226.70 72.26 o 2 17 0 570.80 631.75 104.20 o 3 17 0 1.67 62.28 60.20 o 4 17 0 143.16 68.47 48.99 o 0 18 0 617.05 502.21 145.89 o 1 18 0 74.11 130.82 71.00 o -11 0 1 3499.88 3577.90 198.83 o -9 0 1 8423.48 7606.72 283.99 o -7 0 1 5.82 -5.93 27.52 o -5 0 1 6872.72 6972.05 163.75 o -3 0 1 26857.79 33868.12 620.59 o -1 0 1 125459.30 130691.03 2306.33 o 1 0 1 345.12 517.45 30.96 o 3 0 1 2452.96 2264.27 59.40 o 5 0 1 3459.40 4115.64 105.98 o 7 0 1 4850.05 4470.12 183.64 o 9 0 1 33.97 32.59 45.44 o 11 0 1 2189.15 2171.42 340.80 o -12 1 1 270.97 290.52 58.13 o -11 1 1 327.27 326.94 55.40 o -10 1 1 1716.02 1668.22 101.34 o -9 1 1 20.32 58.81 30.93 o -8 1 1 141.14 162.89 35.59 o -7 1 1 1.41 8.85 23.17 o -6 1 1 4105.68 3497.52 73.96 o -5 1 1 186.78 105.70 15.33 o -4 1 1 4274.95 3707.65 74.58 o -3 1 1 6006.45 5690.49 89.98 o -2 1 1 39522.43 41582.09 577.01 o -1 1 1 18270.08 20749.27 290.37 o 0 1 1 4300.23 4392.49 75.16 o 1 1 1 31182.89 33964.90 429.73 o 2 1 1 27789.62 28664.01 402.26 o 3 1 1 22713.91 25435.92 364.33 o 4 1 1 2116.72 2740.87 52.98 o 5 1 1 10936.59 11319.21 181.59 o 6 1 1 8307.99 8173.93 132.76 o 7 1 1 7931.20 7823.94 256.02 o 8 1 1 1472.29 1321.46 80.18 o 9 1 1 3854.68 3957.35 135.17 o 10 1 1 91.03 101.33 39.90 o 11 1 1 833.78 852.28 81.86 o 12 1 1 452.97 482.53 68.52 o -12 2 1 128.80 76.67 42.72 o -11 2 1 0.88 7.56 33.87 o -10 2 1 242.83 252.16 46.88 o -9 2 1 1463.63 1468.41 89.21 o -8 2 1 1445.34 1511.33 84.61 o -7 2 1 21852.79 20144.45 771.34 o -6 2 1 983.69 1163.76 42.40 o -5 2 1 49589.09 52733.95 685.28 o -4 2 1 2294.36 2251.68 50.40 o -3 2 1 2423.62 2315.38 47.39 o -2 2 1 600.50 301.31 16.39 o -1 2 1 1181.86 1338.31 32.27 o 0 2 1 18935.17 19773.61 311.63 o 1 2 1 32755.56 36063.22 457.80 o 2 2 1 2957.07 3506.65 58.39 o 3 2 1 35465.79 34406.95 446.24 o 4 2 1 308.19 240.73 23.13 o 5 2 1 570.23 536.45 25.84 o 6 2 1 397.33 484.55 26.20 o 7 2 1 5285.50 4880.96 137.63 o 8 2 1 3928.96 3893.84 127.41 o 9 2 1 0.60 -20.47 33.32 o 10 2 1 961.02 992.53 83.19 o 11 2 1 249.62 227.97 50.37 o 12 2 1 1.31 -6.64 39.03 o -12 3 1 0.71 45.87 39.48 o -11 3 1 206.19 221.93 49.73 o -10 3 1 13.76 19.74 31.54 o -9 3 1 1808.26 2017.38 103.10 o -8 3 1 4262.38 4638.44 190.88 o -7 3 1 1488.62 1757.28 79.51 o -6 3 1 18584.26 17806.78 262.30 o -5 3 1 7494.55 7421.10 154.52 o -4 3 1 3313.23 3095.30 79.87 o -3 3 1 21400.15 23426.41 314.06 o -2 3 1 2386.85 1983.21 40.45 o -1 3 1 34356.25 37055.04 516.21 o 0 3 1 50.85 194.40 20.38 o 1 3 1 20602.56 23625.32 307.76 o 2 3 1 28508.37 31478.45 408.53 o 3 3 1 41065.79 42693.60 552.00 o 4 3 1 987.53 1289.54 37.69 o 5 3 1 44452.20 43449.73 572.23 o 6 3 1 2334.51 2892.28 67.53 o 7 3 1 2986.10 2855.16 100.46 o 8 3 1 168.68 135.68 33.74 o 9 3 1 113.54 83.28 30.78 o 10 3 1 74.09 78.94 37.38 o 11 3 1 639.55 666.07 72.05 o 12 3 1 39.20 31.06 39.51 o -12 4 1 97.02 211.02 51.16 o -11 4 1 900.99 897.12 83.34 o -10 4 1 1483.52 1669.33 119.23 o -9 4 1 803.07 752.52 109.29 o -8 4 1 1577.55 1643.71 87.33 o -7 4 1 1171.52 1416.21 75.94 o -6 4 1 301.21 343.49 32.37 o -5 4 1 7574.67 6985.44 121.81 o -4 4 1 25434.07 24875.50 340.58 o -3 4 1 22735.38 23803.64 321.28 o -2 4 1 4132.82 4004.82 69.27 o -1 4 1 8142.11 8765.40 126.04 o 0 4 1 5329.43 5470.83 83.62 o 1 4 1 4221.86 4312.87 71.86 o 2 4 1 11032.47 12614.40 178.97 o 3 4 1 1309.19 1681.04 42.72 o 4 4 1 44301.07 45074.03 589.94 o 5 4 1 2466.63 2287.13 57.70 o 6 4 1 16423.58 17244.50 255.76 o 7 4 1 1193.74 1177.53 71.69 o 8 4 1 235.64 216.45 39.32 o 9 4 1 34.82 39.57 28.74 o 10 4 1 11.77 4.51 29.47 o 11 4 1 582.80 591.90 69.36 o 12 4 1 359.13 290.65 57.50 o -12 5 1 188.14 169.11 48.81 o -11 5 1 320.92 384.09 59.07 o -10 5 1 964.75 953.51 80.50 o -9 5 1 368.93 445.52 54.16 o -8 5 1 2192.15 2106.44 104.14 o -7 5 1 761.13 754.28 48.56 o -6 5 1 5715.57 6175.97 175.36 o -5 5 1 7811.01 8069.63 138.04 o -4 5 1 12081.95 13197.88 197.64 o -3 5 1 7407.82 7671.55 123.54 o -2 5 1 27297.14 29197.89 386.19 o -1 5 1 10674.67 9363.72 137.57 o 0 5 1 5913.71 6116.10 95.64 o 1 5 1 40844.03 40231.36 540.34 o 2 5 1 219.00 267.96 19.47 o 3 5 1 219.27 360.71 23.36 o 4 5 1 432.23 401.42 26.31 o 5 5 1 1344.53 1307.03 45.25 o 6 5 1 1.77 26.29 15.70 o 7 5 1 757.83 787.94 68.35 o 8 5 1 25.16 75.61 29.57 o 9 5 1 5261.40 5073.27 159.22 o 10 5 1 223.69 261.51 49.75 o 11 5 1 331.88 292.68 52.61 o 12 5 1 97.08 74.82 45.10 o -12 6 1 759.97 848.28 124.16 o -11 6 1 75.46 170.79 48.63 o -10 6 1 48.82 71.90 38.97 o -9 6 1 489.54 410.57 52.41 o -8 6 1 1562.95 1396.98 82.07 o -7 6 1 131.07 155.81 27.76 o -6 6 1 518.87 503.17 34.83 o -5 6 1 784.11 969.45 49.11 o -4 6 1 3812.81 3694.94 78.12 o -3 6 1 5621.65 5945.00 104.32 o -2 6 1 3838.15 4711.02 92.56 o -1 6 1 6922.26 7120.85 113.49 o 0 6 1 44785.79 46979.57 605.87 o 1 6 1 847.88 704.37 29.45 o 2 6 1 26340.66 25412.14 344.77 o 3 6 1 26.49 31.35 12.26 o 4 6 1 103.16 163.44 20.08 o 5 6 1 1886.92 1906.55 56.51 o 6 6 1 2378.83 2143.78 77.61 o 7 6 1 277.70 219.16 36.64 o 8 6 1 6052.75 5861.61 166.28 o 9 6 1 14.19 37.59 34.48 o 10 6 1 3026.54 3009.91 142.57 o 11 6 1 59.44 138.67 44.22 o 12 6 1 31.16 26.75 40.99 o -11 7 1 30.72 25.74 54.66 o -10 7 1 1579.27 1806.41 231.30 o -9 7 1 1773.26 2045.48 113.59 o -8 7 1 1160.98 1059.32 73.48 o -7 7 1 2203.99 2182.25 77.07 o -6 7 1 3543.41 3503.33 85.30 o -5 7 1 7679.09 7542.50 157.51 o -4 7 1 12136.95 11980.55 264.58 o -3 7 1 5472.81 5453.73 100.12 o -2 7 1 13495.48 11902.71 179.05 o -1 7 1 3570.83 3020.96 63.50 o 0 7 1 17368.09 19404.57 269.66 o 1 7 1 5557.50 5218.98 93.70 o 2 7 1 445.46 455.08 27.33 o 3 7 1 381.04 258.61 22.71 o 4 7 1 1444.65 1393.58 46.77 o 5 7 1 5274.14 5327.15 140.21 o 6 7 1 916.41 898.71 46.76 o 7 7 1 11.16 20.18 22.49 o 8 7 1 364.04 464.74 53.88 o 9 7 1 469.92 698.79 71.99 o 10 7 1 241.80 245.41 50.61 o 11 7 1 0.77 33.57 41.91 o -11 8 1 111.31 118.87 62.89 o -10 8 1 639.24 559.16 99.21 o -9 8 1 0.01 28.45 36.59 o -8 8 1 1788.97 1630.14 106.20 o -7 8 1 902.17 928.17 65.36 o -6 8 1 2.29 53.96 19.32 o -5 8 1 1120.25 1097.03 53.42 o -4 8 1 5075.54 4658.58 96.36 o -3 8 1 5285.37 5882.70 120.71 o -2 8 1 3257.71 2952.32 65.86 o -1 8 1 1287.71 1197.52 40.61 o 0 8 1 0.39 6.52 11.85 o 1 8 1 5747.41 6509.72 113.82 o 2 8 1 4186.44 4104.27 83.66 o 3 8 1 4201.32 4122.03 86.99 o 4 8 1 18774.27 18545.86 275.23 o 5 8 1 307.17 336.32 31.40 o 6 8 1 6207.71 6160.44 133.07 o 7 8 1 1363.79 1554.50 84.36 o 8 8 1 472.23 569.06 65.87 o 9 8 1 7.09 -31.02 40.07 o 10 8 1 207.71 203.19 51.62 o 11 8 1 111.78 135.26 52.34 o -11 9 1 1.37 113.89 72.82 o -10 9 1 30.32 16.39 69.03 o -9 9 1 122.64 73.45 52.11 o -8 9 1 3626.80 4034.02 157.64 o -7 9 1 0.13 56.85 28.92 o -6 9 1 8178.81 7827.96 282.90 o -5 9 1 1554.22 1617.07 66.58 o -4 9 1 4029.72 3987.10 112.54 o -3 9 1 963.58 1057.33 44.32 o -2 9 1 6.19 16.14 13.27 o -1 9 1 178.28 254.44 31.38 o 0 9 1 6763.41 6454.65 115.70 o 1 9 1 385.78 375.46 27.55 o 2 9 1 15808.82 14958.24 226.75 o 3 9 1 1359.87 1279.23 61.14 o 4 9 1 3314.65 3342.69 88.16 o 5 9 1 2628.98 2381.60 69.60 o 6 9 1 1732.57 1659.58 61.67 o 7 9 1 9.64 95.00 58.21 o 8 9 1 540.22 666.18 73.54 o 9 9 1 298.87 298.72 68.91 o 10 9 1 119.97 176.59 69.83 o 11 9 1 2.41 1.57 59.10 o -10 10 1 83.64 195.78 98.18 o -9 10 1 20.31 130.26 58.81 o -8 10 1 6.42 -9.50 39.57 o -7 10 1 3653.85 3828.14 257.97 o -6 10 1 304.62 388.63 40.29 o -5 10 1 2740.49 2696.45 84.58 o -4 10 1 148.12 147.87 28.59 o -3 10 1 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